5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride

C26H28ClN5O2 — CID 67992365

IUPAC5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCCC(c1c[nH]c2ccc(C#N)cc12)N1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1.Cl
InChIInChI=1S/C26H27N5O2.ClH/c1-2-3-23(21-16-29-22-6-4-17(15-27)12-20(21)22)31-10-8-30(9-11-31)19-5-7-24-18(13-19)14-25(33-24)26(28)32;/h4-7,12-14,16,23,29H,2-3,8-11H2,1H3,(H2,28,32);1H
InChIKeySGQACTDCADWLOO-UHFFFAOYSA-N
MW478.00 g/mol
LogP4.97
Rot. Bonds6

About 5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride

5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 67992365) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID67992365
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC Name5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCCC(c1c[nH]c2ccc(C#N)cc12)N1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1.Cl
InChIInChI=1S/C26H27N5O2.ClH/c1-2-3-23(21-16-29-22-6-4-17(15-27)12-20(21)22)31-10-8-30(9-11-31)19-5-7-24-18(13-19)14-25(33-24)26(28)32;/h4-7,12-14,16,23,29H,2-3,8-11H2,1H3,(H2,28,32);1H
InChIKeySGQACTDCADWLOO-UHFFFAOYSA-N
XLogP4.97
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride (CID 67992365) is 5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride is CCCC(c1c[nH]c2ccc(C#N)cc12)N1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1.Cl.
What is the InChIKey of 5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is SGQACTDCADWLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2.ClH/c1-2-3-23(21-16-29-22-6-4-17(15-27)12-20(21)22)31-10-8-30(9-11-31)19-5-7-24-18(13-19)14-25(33-24)26(28)32;/h4-7,12-14,16,23,29H,2-3,8-11H2,1H3,(H2,28,32);1H.
What are the key properties of 5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride?
5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 478.00 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 67992365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).